NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3898 8.3349 115.2901 57.5653 63.3962 173.5974
  2     L  3.9504 8.4636 127.7807 53.8159 42.1264 175.2750
  3     L  4.2098 8.3558 122.7904 55.3668 43.8458 176.1970
  4     M  4.0664 8.7643 124.3201 57.0262 32.8466 176.1864
  5     W  4.7625 8.0939 116.9419 54.8566 30.9531 175.4735
  6     I  4.6196 8.2484 122.8721 59.7776 39.6671 175.0550
  7     T  4.3847 8.4948 122.3687 62.4632 69.4234 174.9758
  8     Q  4.1918 8.4992 124.8001 56.0436 29.5385 176.2216
  9     C  4.2973 8.4919 114.2053 58.5623 30.0001 173.4994

  NUM RES  H    HA   HB   HB2  HB3  HD1  HD2  HD21 HD22 HD3  HE   HE1  HE2  HE21 HE22 HE3  HG   HG1  HG12 HG13 HG2  HG3  HZ   
  1     S  8.33 4.39 0.00 3.85 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  2     L  8.46 3.95 0.00 1.74 1.59 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 
  3     L  8.36 4.21 0.00 1.61 1.58 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 
  4     M  8.76 4.07 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.66 0.00 
  5     W  8.09 4.76 0.00 3.26 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  6     I  8.25 4.62 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.88 0.94 0.00 0.00 
  7     T  8.49 4.38 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 
  8     Q  8.50 4.19 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.04 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 
  9     C  8.49 4.30 0.00 3.08 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00